1-[2-methoxy-5-(methylsulfamoyl)phenyl]ethyl acetate

C12H17NO5S — CID 54170408

IUPAC1-[2-methoxy-5-(methylsulfamoyl)phenyl]ethyl acetate
SMILESCNS(=O)(=O)c1ccc(OC)c(C(C)OC(C)=O)c1
InChIInChI=1S/C12H17NO5S/c1-8(18-9(2)14)11-7-10(19(15,16)13-3)5-6-12(11)17-4/h5-8,13H,1-4H3
InChIKeyHOSIDQCCZBASHI-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.23
Rot. Bonds5

About 1-[2-methoxy-5-(methylsulfamoyl)phenyl]ethyl acetate

1-[2-methoxy-5-(methylsulfamoyl)phenyl]ethyl acetate (PubChem CID 54170408) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-[2-methoxy-5-(methylsulfamoyl)phenyl]ethyl acetate.

Molecular Properties

Compound Name1-[2-methoxy-5-(methylsulfamoyl)phenyl]ethyl acetate
PubChem CID54170408
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name1-[2-methoxy-5-(methylsulfamoyl)phenyl]ethyl acetate
SMILESCNS(=O)(=O)c1ccc(OC)c(C(C)OC(C)=O)c1
InChIInChI=1S/C12H17NO5S/c1-8(18-9(2)14)11-7-10(19(15,16)13-3)5-6-12(11)17-4/h5-8,13H,1-4H3
InChIKeyHOSIDQCCZBASHI-UHFFFAOYSA-N
XLogP1.23
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide
CID 100570121
(E)-3-[2-methoxy-5-(methylsulfamoyl)phenyl]prop-2-enoic acid
CID 94231081
2-methoxy-5-(methylsulfamoyl)-N-propylbenzamide
CID 27260718
3-(3-hydroxyprop-1-ynyl)-4-methoxy-N-methylbenzenesulfonamide
CID 60823493
N-[2-methoxy-5-(methylsulfamoyl)phenyl]-4-methylbenzamide
CID 6459882
4-methoxy-N-(3-methylbutyl)-3-propan-2-ylbenzenesulfonamide
CID 9172687
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[[3-(methylsulfamoyl)phenyl]methyl]urea
CID 55683756
(2R)-N-(3,4-dimethoxyphenyl)sulfonyl-2-methyl-3-methylsulfanylpropanamide
CID 95177968
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 133178714
5-[1-(2,5-dimethoxyphenyl)ethylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 133203803
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18091865
N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8777670

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-(methylsulfamoyl)phenyl]ethyl acetate?
The IUPAC name of 1-[2-methoxy-5-(methylsulfamoyl)phenyl]ethyl acetate (CID 54170408) is 1-[2-methoxy-5-(methylsulfamoyl)phenyl]ethyl acetate.
What is the SMILES notation for 1-[2-methoxy-5-(methylsulfamoyl)phenyl]ethyl acetate?
The canonical SMILES for 1-[2-methoxy-5-(methylsulfamoyl)phenyl]ethyl acetate is CNS(=O)(=O)c1ccc(OC)c(C(C)OC(C)=O)c1.
What is the InChIKey of 1-[2-methoxy-5-(methylsulfamoyl)phenyl]ethyl acetate?
The InChIKey is HOSIDQCCZBASHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-8(18-9(2)14)11-7-10(19(15,16)13-3)5-6-12(11)17-4/h5-8,13H,1-4H3.
What are the key properties of 1-[2-methoxy-5-(methylsulfamoyl)phenyl]ethyl acetate?
1-[2-methoxy-5-(methylsulfamoyl)phenyl]ethyl acetate has a molecular weight of 287.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-(methylsulfamoyl)phenyl]ethyl acetate is sourced from PubChem (CID 54170408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).